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ALFAAESAR-ZINC02382266

 MMsINC code: MMs00022994
Type: Neutral
Formula: C7H6ClFO
SMILES:   Clc1cccc(F)c1OC
InChI:   InChI=1/C7H6ClFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.7572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.575 g/mol  logS: -2.46453  SlogP: 2.4877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0520892  Sterimol/B1: 2.1071  Sterimol/B2: 2.85632  Sterimol/B3: 3.8234
  Sterimol/B4: 4.79223  Sterimol/L: 9.97309 
 
 Surface and Volume Properties
  Accessible surface: 313.919  Positive charged surface: 160.769  Negative charged surface: 153.149  Volume: 136.125
  Hydrophobic surface: 304.197  Hydrophilic surface: 9.722
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.